N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide

C13H14N4O — CID 91629132

IUPACN-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cnc2ccnn2c1)C1CC=CCC1
InChIInChI=1S/C13H14N4O/c18-13(10-4-2-1-3-5-10)16-11-8-14-12-6-7-15-17(12)9-11/h1-2,6-10H,3-5H2,(H,16,18)
InChIKeyKQJMVVUMSODGFA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.02
Rot. Bonds2

About N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide

N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide (PubChem CID 91629132) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide
PubChem CID91629132
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cnc2ccnn2c1)C1CC=CCC1
InChIInChI=1S/C13H14N4O/c18-13(10-4-2-1-3-5-10)16-11-8-14-12-6-7-15-17(12)9-11/h1-2,6-10H,3-5H2,(H,16,18)
InChIKeyKQJMVVUMSODGFA-UHFFFAOYSA-N
XLogP2.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide (CID 91629132) is N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide is O=C(Nc1cnc2ccnn2c1)C1CC=CCC1.
What is the InChIKey of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is KQJMVVUMSODGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(10-4-2-1-3-5-10)16-11-8-14-12-6-7-15-17(12)9-11/h1-2,6-10H,3-5H2,(H,16,18).
What are the key properties of N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide?
N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazolo[1,5-a]pyrimidin-6-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91629132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).